2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-diphenylphenol

C71H63N3O — CID 164713272

About 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-diphenylphenol

2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-diphenylphenol (PubChem CID 164713272) has the molecular formula C71H63N3O and a molecular weight of 974.31 g/mol. Its IUPAC name is 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-diphenylphenol.

Molecular Properties

• Compound Name: 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-diphenylphenol
• PubChem CID: 164713272
• Molecular Formula: C71H63N3O
• Molecular Weight: 974.31 g/mol
• Exact Mass: 973.50
• IUPAC Name: 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-diphenylphenol
• SMILES: CC(C)(C)c1cc(-c2cc(-c3cccc(C(C)(C)c4ccccc4)c3)ccn2)cc(-c2cccc3c2nc(-c2cc(-c4ccccc4)cc(-c4ccccc4)c2O)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1
• InChI: InChI=1S/C71H63N3O/c1-69(2,3)56-35-36-64(60(46-56)48-25-15-10-16-26-48)74-65-34-22-33-59(66(65)73-68(74)62-44-52(47-23-13-9-14-24-47)43-61(67(62)75)49-27-17-11-18-28-49)53-39-54(42-58(41-53)70(4,5)6)63-45-51(37-38-72-63)50-29-21-32-57(40-50)71(7,8)55-30-19-12-20-31-55/h9-46,75H,1-8H3
• InChIKey: NKEYTDQQXKOVST-UHFFFAOYSA-N
• XLogP: 18.72
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	974.31
LogP ≤ 5	18.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-diphenylphenol?

The IUPAC name of 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-diphenylphenol (CID 164713272) is 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-diphenylphenol.

What is the SMILES notation for 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-diphenylphenol?

The canonical SMILES for 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-diphenylphenol is CC(C)(C)c1cc(-c2cc(-c3cccc(C(C)(C)c4ccccc4)c3)ccn2)cc(-c2cccc3c2nc(-c2cc(-c4ccccc4)cc(-c4ccccc4)c2O)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1.

What is the InChIKey of 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-diphenylphenol?

The InChIKey is NKEYTDQQXKOVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H63N3O/c1-69(2,3)56-35-36-64(60(46-56)48-25-15-10-16-26-48)74-65-34-22-33-59(66(65)73-68(74)62-44-52(47-23-13-9-14-24-47)43-61(67(62)75)49-27-17-11-18-28-49)53-39-54(42-58(41-53)70(4,5)6)63-45-51(37-38-72-63)50-29-21-32-57(40-50)71(7,8)55-30-19-12-20-31-55/h9-46,75H,1-8H3.

What are the key properties of 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-diphenylphenol?

2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-diphenylphenol has a molecular weight of 974.31 g/mol, XLogP of 18.72, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-diphenylphenol is sourced from PubChem (CID 164713272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).